3-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCCC#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCCC#N

InChI

InChI=1S/C20H20N4OS/c1-15-8-6-9-16(2)19(15)25-14-18-22-23-20(26-13-7-12-21)24(18)17-10-4-3-5-11-17/h3-6,8-11H,7,13-14H2,1-2H3